Heavy Petroleum Composition. 2. Progression of the Boduszynski Model to the Limit of Distillation by Ultrahigh-Resolution FT-ICR Mass Spectrometry

2010 ◽  
Vol 24 (5) ◽  
pp. 2939-2946 ◽  
Author(s):  
Amy M. McKenna ◽  
Gregory T. Blakney ◽  
Feng Xian ◽  
Paul B. Glaser ◽  
Ryan P. Rodgers ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Heavy Petroleum ◽  
Ultrahigh Resolution ◽  
Ft Icr

Unprecedented Ultrahigh Resolution FT-ICR Mass Spectrometry and Parts-Per-Billion Mass Accuracy Enable Direct Characterization of Nickel and Vanadyl Porphyrins in Petroleum from Natural Seeps

2014 ◽  
Vol 28 (4) ◽  
pp. 2454-2464 ◽  
Author(s):  
Amy M. McKenna ◽  
Jeffrey T. Williams ◽  
Jonathan C. Putman ◽  
Christoph Aeppli ◽  
Christopher M. Reddy ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Mass Accuracy ◽  
Ultrahigh Resolution ◽  
Ft Icr

scholarly journals Structural Analysis of Monoclonal Antibodies by Ultrahigh Resolution MALDI In-Source Decay FT-ICR Mass Spectrometry

2018 ◽  
Vol 91 (3) ◽  
pp. 2079-2085 ◽  
Author(s):  
Yuri E.M. van der Burgt ◽  
David P. A. Kilgour ◽  
Yury O. Tsybin ◽  
Kristina Srzentić ◽  
Luca Fornelli ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Monoclonal Antibodies ◽  
Structural Analysis ◽  
Ultrahigh Resolution ◽  
Ft Icr

scholarly journals High molecular weight SOA formation during limonene ozonolysis: insights from ultrahigh-resolution FT-ICR mass spectrometry characterization

2012 ◽  
Vol 12 (1) ◽  
pp. 2167-2197
Author(s):  
S. Kundu ◽  
R. Fisseha ◽  
A. L. Putman ◽  
T. A. Rahn ◽  
L. R. Mazzoleni
Keyword(s):  
Mass Spectrometry ◽  
Molecular Weight ◽  
High Molecular Weight ◽  
Homologous Series ◽  
Condensation Reaction ◽  
Reaction Pathways ◽  
Ultrahigh Resolution ◽  
Group Iii ◽  
Group Ii ◽  
Ft Icr

Abstract. The detailed molecular composition of secondary organic aerosols (SOA) from limonene ozonolysis was studied using ultrahigh-resolution Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. High molecular weight (MW) compounds (m/z > 300) were found to constitute a significant number fraction of the identified SOA components. Double bond equivalents (DBE = the number of rings plus the number of double bonds) increased with MW. The O:C ratios and relative abundances of compounds decreased with increasing MW. The mass spectra of limonene contain 4 distinct clusters of negative ions: Group I (140 < m/z < 300), Group II (300 < m/z < 500), Group III (500 < m/z < 700) and Group IV (700 < m/z < 850). A number of CH2 and O homologous series of low MW SOA (Group 1) with carbon number 7–15 and oxygen number 3–9 were observed. Their occurrence can be explained with isomerization and elimination reactions of Criegee radicals, reactions between alkyl peroxy radicals, and scission of alkoxy radicals resulting from the Criegee radicals. Additionally, fragmentation analysis and observations of formaldehyde homologous series provide evidence for aerosol growth by the reactive uptake of generated gas-phase carbonyls in limonene ozonolysis. The decreasing O:C ratios between group of compounds indicated the importance of condensation (aldol and esterification) reaction pathways for high MW compound formation. However, the prominent DBE changes of 2 between the groups of compounds and selected fragmentation (MS/MS) analysis of Group II and Group III ions indicated a predominance of non-condensation (hydroperoxide, Criegee and hemi-acetal) reaction pathways. A reaction matrix created with the combination of low MW SOA, hydroperoxides, and Criegee radicals indicated higher frequencies for the hemi-acetal and condensation reaction pathways. Overall, the combined approach confirms the importance of non-condensation reaction pathways over condensation reaction pathways. Among the non-condensation reaction pathways, hemi-acetal reactions appear to be most dominant followed by hydroperoxide and Criegee reactions.

Proanthocyanidin Structural Details Revealed by Ultrahigh Resolution FT-ICR MALDI-Mass Spectrometry, 1H–13C HSQC NMR, and Thiolysis-HPLC–DAD

2020 ◽  
Vol 68 (47) ◽  
pp. 14038-14048
Author(s):  
Savanah G. Reeves ◽  
Arpad Somogyi ◽  
Wayne E. Zeller ◽  
Theresa A. Ramelot ◽  
Kelly C. Wrighton ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Maldi Mass Spectrometry ◽  
Ultrahigh Resolution ◽  
Structural Details ◽  
Ft Icr

Aromatic formulas in ambient PM2.5 samples from Hong Kong determined using FT-ICR ultrahigh-resolution mass spectrometry

2018 ◽  
Vol 410 (24) ◽  
pp. 6289-6304 ◽  
Author(s):  
Bin-Yu Kuang ◽  
Hoi Sze Yeung ◽  
Chi Chung Lee ◽  
Stephen M Griffith ◽  
Jian Zhen Yu
Keyword(s):  
Mass Spectrometry ◽  
Hong Kong ◽  
Ultrahigh Resolution ◽  
Ft Icr ◽  
Resolution Mass

scholarly journals High molecular weight SOA formation during limonene ozonolysis: insights from ultrahigh-resolution FT-ICR mass spectrometry characterization

2012 ◽  
Vol 12 (12) ◽  
pp. 5523-5536 ◽  
Author(s):  
S. Kundu ◽  
R. Fisseha ◽  
A. L. Putman ◽  
T. A. Rahn ◽  
L. R. Mazzoleni
Keyword(s):  
Mass Spectrometry ◽  
Molecular Weight ◽  
Gas Phase ◽  
Homologous Series ◽  
Radical Reaction ◽  
Building Blocks ◽  
Molecular Formula ◽  
Ultrahigh Resolution ◽  
Reaction Channels ◽  
Ft Icr

Abstract. The detailed molecular composition of laboratory generated limonene ozonolysis secondary organic aerosol (SOA) was studied using ultrahigh-resolution Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. Approximately 1200 molecular formulas were identified in the SOA over the mass range of 140 to 850 Da. Four characteristic groups of high relative abundance species were observed; they indicate an array of accretion products that retain a large fraction of the limonene skeleton. The identified molecular formulas of each of the groups are related to one another by CH2, O and CH2O homologous series. The CH2 and O homologous series of the low molecular weight (MW) SOA (m/z < 300) are explained with a combination of functionalization and fragmentation of radical intermediates and reactive uptake of gas-phase carbonyls. They include isomerization and elimination reactions of Criegee radicals, reactions between alkyl peroxy radicals, and scission of alkoxy radicals resulting from the Criegee radicals. The presence of compounds with 10–15 carbon atoms in the first group (e.g. C11H18O6) provides evidence for SOA formation by the reactive uptake of gas-phase carbonyls during limonene ozonolysis. The high MW compounds (m/z > 300) were found to constitute a significant number fraction of the identified SOA components. The formation of high MW compounds was evaluated by molecular formula trends, fragmentation analysis of select high MW compounds and a comprehensive reaction matrix including the identified low MW SOA, hydroperoxides and Criegee radicals as building blocks. Although the formation of high MW SOA may occur via a variety of radical and non-radical reaction channels, the combined approach indicates a greater importance of the non-condensation reactions over aldol and ester condensation reaction channels. Among these hemi-acetal reactions appear to be most dominant followed by hydroperoxide and Criegee reaction channels.

Identification of water-soluble organic carbon in non-urban aerosols using ultrahigh-resolution FT-ICR mass spectrometry: organic anions

2012 ◽  
Vol 9 (3) ◽  
pp. 285 ◽  
Author(s):  
Lynn R. Mazzoleni ◽  
Parichehr Saranjampour ◽  
Megan M. Dalbec ◽  
Vera Samburova ◽  
A. Gannet Hallar ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Organic Carbon ◽  
Significant Influence ◽  
Atmospheric Aerosols ◽  
Complex Mixture ◽  
Water Soluble ◽  
Ultrahigh Resolution ◽  
Water Soluble Organic Carbon ◽  
Soluble Organic Carbon ◽  
Ft Icr

Environmental contextAerosol water-soluble organic carbon is a complex mixture of thousands of organic compounds which may have a significant influence on the climate-relevant properties of atmospheric aerosols. Using ultrahigh resolution mass spectrometry, more than 4000 individual molecular formulas were identified in non-urban aerosol water-soluble organic carbon. A significant fraction of the assigned molecular formulas were matched to assigned molecular formulas of laboratory generated secondary organic aerosols. AbstractWater-soluble organic carbon (WSOC) is a complex mixture of thousands of organic compounds which may have significant influence on the climate-relevant properties of atmospheric aerosols. An improved understanding of the molecular composition of WSOC is needed to evaluate the effect of aerosol composition upon aerosol physical properties. In this work, ultrahigh-resolution Fourier transform–ion cyclotron resonance mass spectrometry (FT-ICR MS) was used to characterise aerosol WSOC collected during the summer of 2010 at the Storm Peak Laboratory (3210 m ASL) near Steamboat Springs, CO. Approximately 4000 molecular formulas were assigned in the mass range of 100–800 Da after negative-ion electrospray ionisation and more than 50 % of them contained nitrogen or sulfur. The double bond equivalents (DBEs) of the molecular formulas were inversely proportional to the O : C ratio, despite a relatively constant H : C ratio of ~1.5. Despite the range of DBE values, the elemental ratios and the high number of oxygen atoms per formula indicate that a majority of the compounds are aliphatic to olefinic in nature. These trends indicate significant non-oxidative accretion reaction pathways for the formation of high molecular weight WSOC components. In addition, a significant number of molecular formulas assigned in this work matched those previously identified as secondary organic aerosol components of monoterpene and sesquiterpene ozonolysis.

Ultrahigh-resolution FT-ICR mass spectrometry for molecular characterisation of pressurised hot water-extractable organic matter in soils

2016 ◽  
Vol 128 (3) ◽  
pp. 307-326 ◽  
Author(s):  
Julien Guigue ◽  
Mourad Harir ◽  
Olivier Mathieu ◽  
Marianna Lucio ◽  
Lionel Ranjard ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Organic Matter ◽  
Hot Water ◽  
Molecular Characterisation ◽  
Ultrahigh Resolution ◽  
Extractable Organic Matter ◽  
Water Extractable ◽  
Ft Icr

scholarly journals Monitoring glycation levels of a bispecific monoclonal antibody at subunit level by ultrahigh-resolution MALDI FT-ICR mass spectrometry

mAbs ◽  
2019 ◽  
Vol 12 (1) ◽  
pp. 1682403 ◽  
Author(s):  
Christoph Gstöttner ◽  
Dietmar Reusch ◽  
Markus Haberger ◽  
Irina Dragan ◽  
Peter Van Veelen ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Monoclonal Antibody ◽  
Ultrahigh Resolution ◽  
Bispecific Monoclonal Antibody ◽  
Ft Icr
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